UCSF

ZINC17193969

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 21 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.72 -4.09 -21.63 4 11 0 169 292.259 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0215942A1; EP0215942B1; EP0216860A1; EP0216860B1; EP0286825A2; EP0332626A1; EP0505181A1; EP0533825A1; EP0533825B1; EP0565646A1; EP0639582A2; EP0639582A3; EP0707481A1; EP0707481B1; EP0817790A1; EP0827964A2; EP0827964A3; US4880782; US5043437; US5153318; U IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 7900 0.34 Functional ≤ 10μM
Z50677-1-O Human Immunodeficiency Virus (cluster #1 Of 3), Other Other 180 0.45 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50677 Z50677 Human Immunodeficiency Virus 180 0.45 Functional ≤ 10μM
Z50607 Z50607 Human Immunodeficiency Virus 1 1700 0.38 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )